N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide

C21H24ClN3O2 — CID 110397785

IUPACN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-6-17(7-9-19)16-20(26)23-10-11-24-12-14-25(15-13-24)21(27)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)
InChIKeyZMLCBTWBCALLNT-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 110397785) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID110397785
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-6-17(7-9-19)16-20(26)23-10-11-24-12-14-25(15-13-24)21(27)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)
InChIKeyZMLCBTWBCALLNT-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide (CID 110397785) is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is ZMLCBTWBCALLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-19-8-6-17(7-9-19)16-20(26)23-10-11-24-12-14-25(15-13-24)21(27)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 385.90 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 110397785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).